0 mol 0 unq 0 iso 0 dist 9.19007 9.56794 7.73539 6.91778 14.0232 10.1804 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.56794 9.19007 7.73539 6.91778 10.1804 14.0232 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.88043 8.80762 4.95029 5.99972 7.25346 10.0658 numMergedOcc 0
3 mol 7 unq 0 iso 1 dist 8.80762 7.88043 4.95029 5.99972 10.0658 7.25346 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 7.92414 6.82379 10.9776 7.03958 8.07902 5.65816 numMergedOcc 0
5 mol 8 unq 0 iso 1 dist 6.82379 7.92414 10.9776 7.03958 5.65816 8.07902 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.61823 6.49956 7.67353 8.91313 14.4996 12.0757 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 6.49956 6.61823 7.67353 8.91313 12.0757 14.4996 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.61823 6.49956 7.67353 8.16392 6.90324 7.64508 numMergedOcc 0
9 mol 92 unq 1 iso 1 dist 6.49956 6.61823 7.67353 8.16392 7.64508 6.90324 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.00544 7.12017 10.6713 7.38135 5.46256 9.38256 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 7.12017 9.00544 10.6713 7.38135 9.38256 5.46256 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.56342 6.37542 8.77578 6.52773 6.96805 4.86811 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 6.37542 8.56342 8.77578 6.52773 4.86811 6.96805 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.56342 6.37542 8.77578 9.23858 13.3975 8.00229 numMergedOcc 0
15 mol 119 unq 1 iso 1 dist 6.37542 8.56342 8.77578 9.23858 8.00229 13.3975 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 6.98934 7.99623 4.68039 8.99399 8.28905 4.99495 numMergedOcc 0
17 mol 119 unq 2 iso 1 dist 7.99623 6.98934 4.68039 8.99399 4.99495 8.28905 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.41611 7.63338 7.96704 7.78652 15.0801 11.5146 numMergedOcc 0
19 mol 143 unq 0 iso 1 dist 7.63338 8.41611 7.96704 7.78652 11.5146 15.0801 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.41611 7.63338 7.96704 8.91301 15.0315 13.434 numMergedOcc 0
21 mol 143 unq 1 iso 1 dist 7.63338 8.41611 7.96704 8.91301 13.434 15.0315 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 8.41611 9.03707 11.1397 7.78652 15.0801 8.97873 numMergedOcc 0
23 mol 143 unq 2 iso 1 dist 9.03707 8.41611 11.1397 7.78652 8.97873 15.0801 numMergedOcc 0
24 mol 143 unq 3 iso 0 dist 8.41611 9.03707 11.1397 8.91301 15.0315 6.29542 numMergedOcc 0
25 mol 143 unq 3 iso 1 dist 9.03707 8.41611 11.1397 8.91301 6.29542 15.0315 numMergedOcc 0
26 mol 143 unq 4 iso 0 dist 8.41611 7.25673 10.7886 7.78652 15.0801 6.60479 numMergedOcc 0
27 mol 143 unq 4 iso 1 dist 7.25673 8.41611 10.7886 7.78652 6.60479 15.0801 numMergedOcc 0
28 mol 143 unq 5 iso 0 dist 8.41611 7.25673 10.7886 8.91301 15.0315 7.54337 numMergedOcc 0
29 mol 143 unq 5 iso 1 dist 7.25673 8.41611 10.7886 8.91301 7.54337 15.0315 numMergedOcc 0
30 mol 143 unq 2 iso 0 dist 7.63338 9.03707 11.6633 7.78652 11.5146 8.97873 numMergedOcc 0
31 mol 143 unq 2 iso 1 dist 9.03707 7.63338 11.6633 7.78652 8.97873 11.5146 numMergedOcc 0
32 mol 143 unq 3 iso 0 dist 7.63338 9.03707 11.6633 8.91301 13.434 6.29542 numMergedOcc 0
33 mol 143 unq 3 iso 1 dist 9.03707 7.63338 11.6633 8.91301 6.29542 13.434 numMergedOcc 0
34 mol 143 unq 4 iso 0 dist 7.63338 7.25673 6.77212 7.78652 11.5146 6.60479 numMergedOcc 0
35 mol 143 unq 4 iso 1 dist 7.25673 7.63338 6.77212 7.78652 6.60479 11.5146 numMergedOcc 0
36 mol 143 unq 5 iso 0 dist 7.63338 7.25673 6.77212 8.91301 13.434 7.54337 numMergedOcc 0
37 mol 143 unq 5 iso 1 dist 7.25673 7.63338 6.77212 8.91301 7.54337 13.434 numMergedOcc 0
38 mol 143 unq 4 iso 0 dist 9.03707 7.25673 6.48609 7.78652 8.97873 6.60479 numMergedOcc 0
39 mol 143 unq 4 iso 1 dist 7.25673 9.03707 6.48609 7.78652 6.60479 8.97873 numMergedOcc 0
40 mol 143 unq 5 iso 0 dist 9.03707 7.25673 6.48609 8.91301 6.29542 7.54337 numMergedOcc 0
41 mol 143 unq 5 iso 1 dist 7.25673 9.03707 6.48609 8.91301 7.54337 6.29542 numMergedOcc 0
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43 mol 156 unq 0 iso 1 dist 5.38091 7.73169 11.9157 7.30357 12.4049 8.40261 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 7.73169 5.38091 11.9157 8.61587 12.8796 11.7015 numMergedOcc 0
45 mol 156 unq 1 iso 1 dist 5.38091 7.73169 11.9157 8.61587 11.7015 12.8796 numMergedOcc 0
46 mol 175 unq 0 iso 0 dist 5.4969 6.4318 5.84099 9.39352 8.94702 4.06277 numMergedOcc 0
47 mol 175 unq 0 iso 1 dist 6.4318 5.4969 5.84099 9.39352 4.06277 8.94702 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 5.4969 7.35824 8.63478 9.39352 8.94702 10.3786 numMergedOcc 0
49 mol 175 unq 1 iso 1 dist 7.35824 5.4969 8.63478 9.39352 10.3786 8.94702 numMergedOcc 0
50 mol 175 unq 2 iso 0 dist 5.4969 9.17364 13.3054 9.39352 8.94702 11.9672 numMergedOcc 0
51 mol 175 unq 2 iso 1 dist 9.17364 5.4969 13.3054 9.39352 11.9672 8.94702 numMergedOcc 0
52 mol 175 unq 1 iso 0 dist 6.4318 7.35824 6.77843 9.39352 4.06277 10.3786 numMergedOcc 0
53 mol 175 unq 1 iso 1 dist 7.35824 6.4318 6.77843 9.39352 10.3786 4.06277 numMergedOcc 0
54 mol 175 unq 2 iso 0 dist 6.4318 9.17364 10.0636 9.39352 4.06277 11.9672 numMergedOcc 0
55 mol 175 unq 2 iso 1 dist 9.17364 6.4318 10.0636 9.39352 11.9672 4.06277 numMergedOcc 0
56 mol 175 unq 2 iso 0 dist 7.35824 9.17364 7.07861 9.39352 10.3786 11.9672 numMergedOcc 0
57 mol 175 unq 2 iso 1 dist 9.17364 7.35824 7.07861 9.39352 11.9672 10.3786 numMergedOcc 0
58 mol 212 unq 0 iso 0 dist 6.29767 8.74585 13.9955 9.74144 9.75095 15.1535 numMergedOcc 0
59 mol 212 unq 0 iso 1 dist 8.74585 6.29767 13.9955 9.74144 15.1535 9.75095 numMergedOcc 0
60 mol 212 unq 1 iso 0 dist 6.29767 8.74585 13.9955 8.69988 12.8059 4.21442 numMergedOcc 0
61 mol 212 unq 1 iso 1 dist 8.74585 6.29767 13.9955 8.69988 4.21442 12.8059 numMergedOcc 0
62 mol 212 unq 2 iso 0 dist 6.29767 8.74585 13.9955 8.55903 10.7914 6.69225 numMergedOcc 0
63 mol 212 unq 2 iso 1 dist 8.74585 6.29767 13.9955 8.55903 6.69225 10.7914 numMergedOcc 0
64 mol 212 unq 3 iso 0 dist 6.29767 8.74585 13.9955 7.15603 9.63281 10.1399 numMergedOcc 0
65 mol 212 unq 3 iso 1 dist 8.74585 6.29767 13.9955 7.15603 10.1399 9.63281 numMergedOcc 0
66 mol 274 unq 0 iso 0 dist 9.56685 8.49922 7.56905 9.85289 5.36428 11.9754 numMergedOcc 0
67 mol 274 unq 0 iso 1 dist 8.49922 9.56685 7.56905 9.85289 11.9754 5.36428 numMergedOcc 0
